SCHEMBL5208640

SCHEMBL5208640

COC(=O)c1ccc2c(c1)CN(C(=O)CCCCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)C2.O=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1Cc2ccc(OCCCN3CCCCC3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.54
DRD2 P14416 5/20 0.51
DRD3 P35462 2/20 0.48
ADRA1A P35348 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2C P28335 2/20 0.46
HTR7 P34969 2/20 0.46
HTR1A P08908 1/20 0.46
HTR6 P50406 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MGLL Q99685 1/20 0.45
ABHD6 Q9BV23 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4684541 0.93 HTR2A (0.57) HTR2ADRD2DRD3RECQLSMN1; SMN2
SCHEMBL4686682 0.92 HTR2A (0.58) HTR2ADRD2DRD3ADRA1ARECQL
SCHEMBL4683575 0.91 DRD2 (0.53) HTR2ADRD2DRD3ADRA1AHTR7
SCHEMBL4683531 0.90 DRD2 (0.55) HTR2ADRD2DRD3ADRA1ARECQL
Hydrochloric Acid SCHEMBL4690031 0.90 DRD2 (0.53) HTR2ADRD2DRD3ADRA1AHTR7
SCHEMBL4687730 0.85 HTR2A (0.57) HTR2ADRD2DRD3SMN1; SMN2HTR2C
SCHEMBL4686307 0.83 DRD2 (0.51) DRD2DRD3ADRA1ASMN1; SMN2HTR7
SCHEMBL4687609 0.83 DRD2 (0.52) DRD2DRD3ADRA1ASMN1; SMN2HTR7
SCHEMBL4684299 0.82 DRD2 (0.54) HTR2ADRD2DRD3ADRA1ASMN1; SMN2
SCHEMBL4683539 0.82 HTR2A (0.52) HTR2ADRD2DRD3ADRA1ARECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 EP claimed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 WO claimed